HRID2130228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

反应SMILES：O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID81531

Diisopropylethylamine

C8H19N

HCID16726584

Phenylmethyl α-hydroxycyclohexaneacetate

C15H20O3

反应SMILES：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCNCC1

HCID58727793

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cccc(F)c2)CCN(C(C(=O)OCc2ccccc2)C2CCCCC2)CC1

HCID77537667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6c60af7ba4214f1db97c31426c853551
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH:1]1([CH:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[OH:18])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:86][CH2:87][Cl:88].[ClH:51].[ClH:52].[F:19][C:20]([S:21]([O:22][S:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])=[O:29])(=[O:30])=[O:31])([F:32])[F:33].[F:53][c:54]1[cH:55][c:56]([C:60]2([CH2:66][CH2:67][N:68]3[CH:69]4[CH2:70][CH:71]([n:76]5[c:77]([CH3:85])[n:78][c:79]6[c:80]5[cH:81][cH:82][cH:83][cH:84]6)[CH2:72][CH:73]3[CH2:74][CH2:75]4)[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:57][cH:58][cH:59]1.[n:34]1[c:35]([CH3:36])[cH:37][cH:38][cH:39][c:40]1[CH3:41]>>[CH:1]1([CH:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[N:63]2[CH2:62][CH2:61][C:60]([c:56]3[cH:55][c:54]([F:53])[cH:59][cH:58][cH:57]3)([CH2:66][CH2:67][N:68]3[CH:69]4[CH2:70][CH:71]([n:76]5[c:77]([CH3:85])[n:78][c:79]6[c:80]5[cH:81][cH:82][cH:83][cH:84]6)[CH2:72][CH:73]3[CH2:74][CH2:75]4)[CH2:65][CH2:64]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1